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Chemical ID: 6380300
Chemical ID:
6380300
Name [?]:
6-[(4-methyl-1-piperidyl)carbonyl]cyclohex-3-ene-1-carboxylic acid
SMILES [?]:
CC1CCN(CC1)C(=O)C2CC=CCC2C(=O)O
InChi [?]:
InChI=1/C14H21NO3/c1-10-6-8-15(9-7-10)13(16)11-4-2-3-5-12(11)14(17)18/h2-3,10-12H,4-9H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,12,13,11,14,3,7,4,6,2,10,15,8,16,5,9,17,18/E:(6,7)(8,9)(17,18)/rA:18cCCCCNCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;d12;s13;s10s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.65985 |
Area: | 412.041 |
Solvation: | -2.64117 |
Coulombic: | -42.3218 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 251.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.46 |
LogP (Chemaxon): | 1.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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